Cas no 88491-54-7 (Azepino[2,1-b]quinazolin-12(2H)-one, 1,3,4,6,7,8,9,10-octahydro-)
![Azepino[2,1-b]quinazolin-12(2H)-one, 1,3,4,6,7,8,9,10-octahydro- structure](https://ossimg.kuujia.com/scimg/88500/88491-54-7x500.png)
88491-54-7 structure
Product Name:Azepino[2,1-b]quinazolin-12(2H)-one, 1,3,4,6,7,8,9,10-octahydro-
CAS No:88491-54-7
MF:C13H18N2O
MW:218.294823169708
CID:630702
PubChem ID:523978
Update Time:2025-04-19
Azepino[2,1-b]quinazolin-12(2H)-one, 1,3,4,6,7,8,9,10-octahydro- Chemical and Physical Properties
Names and Identifiers
-
- Azepino[2,1-b]quinazolin-12(2H)-one, 1,3,4,6,7,8,9,10-octahydro-
- 2,3,4,6,7,8,9,10-octahydro-1H-azepino[2,1-b]quinazolin-12-one
- 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno
- 88491-54-7
- DTXSID90335232
- CHEMBL287748
- 1,3,4,6,7,8,9,10-Octahydro-2H-azepino[2,1-b]quinazolin-12-one
- QFNBTCDQRILBND-UHFFFAOYSA-N
- SCHEMBL10860457
-
- Inchi： 1S/C13H18N2O/c16-13-10-6-3-4-7-11(10)14-12-8-2-1-5-9-15(12)13/h1-9H2
- InChI Key： QFNBTCDQRILBND-UHFFFAOYSA-N
- SMILES： O=C1C2CCCCC=2N=C2CCCCCN21
Computed Properties
- Exact Mass: 218.141913202g/mol
- Monoisotopic Mass: 218.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 381
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 32.7?2
Azepino[2,1-b]quinazolin-12(2H)-one, 1,3,4,6,7,8,9,10-octahydro- Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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